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Compound Detail

CHEMBL338662

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Nc1cc2ncnc(Nc3ccccc3[N+](=O)[O-])c2cn1

Basic Information

ChEMBL ID CHEMBL338662
Phase Preclinical
Structure Type MOL
InChI Key FPEUMZRLYARFMA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
2.26
ALogP
7
HBA
2
HBD
119.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10N6O2
MW 282.26
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.25

Activity Summary

IC50 1 meas. best 5.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 5.9 5.9 1250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7562908 10.1021/jm00019a007 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine